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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226259

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1226259
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Cs', 'Ag', 'Sb', 'S']
  • Chemical System: Ag-Cs-S-Sb
  • Density: 4.873632904496218
  • Atomic Density: 0.0366650294408714
  • Unit Cell Volume: 763.6704627540192
  • Molar Volume: 16.42475364628229
  • Full Formula: Cs3 Ag9 Sb4 S12
  • Reduced Formula: Cs3Ag9(SbS3)4
  • Formula Anonymous: A3B4C9D12
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -110.7965744
  • Final energy per atom: -3.957020514285714
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.